2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride

C11H18ClN3 — CID 71639508

IUPAC2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
SMILESCc1ccnc(N2CCNCC2C)c1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-9-3-4-13-11(7-9)14-6-5-12-8-10(14)2;/h3-4,7,10,12H,5-6,8H2,1-2H3;1H
InChIKeyDILFGSMLXCDAER-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.61
Rot. Bonds1

About 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride

2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride (PubChem CID 71639508) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
PubChem CID71639508
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride
SMILESCc1ccnc(N2CCNCC2C)c1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-9-3-4-13-11(7-9)14-6-5-12-8-10(14)2;/h3-4,7,10,12H,5-6,8H2,1-2H3;1H
InChIKeyDILFGSMLXCDAER-UHFFFAOYSA-N
XLogP1.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride (CID 71639508) is 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride is Cc1ccnc(N2CCNCC2C)c1.Cl.
What is the InChIKey of 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is DILFGSMLXCDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.ClH/c1-9-3-4-13-11(7-9)14-6-5-12-8-10(14)2;/h3-4,7,10,12H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride?
2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 71639508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).